2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C21H26N4O2S2 — CID 31657857

About 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 31657857) has the molecular formula C21H26N4O2S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 31657857
• Molecular Formula: C21H26N4O2S2
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.15
• IUPAC Name: 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1nc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2c(-c3cccs3)csc2n1
• InChI: InChI=1S/C21H26N4O2S2/c1-14-23-20(19-16(13-29-21(19)24-14)18-3-2-10-28-18)22-11-17(15-4-7-27-12-15)25-5-8-26-9-6-25/h2-3,10,13,15,17H,4-9,11-12H2,1H3,(H,22,23,24)/t15-,17+/m1/s1
• InChIKey: YCCYODKOGVYWTI-WBVHZDCISA-N
• XLogP: 3.88
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 31657857) is 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2c(-c3cccs3)csc2n1.

What is the InChIKey of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?

The InChIKey is YCCYODKOGVYWTI-WBVHZDCISA-N. The full InChI is InChI=1S/C21H26N4O2S2/c1-14-23-20(19-16(13-29-21(19)24-14)18-3-2-10-28-18)22-11-17(15-4-7-27-12-15)25-5-8-26-9-6-25/h2-3,10,13,15,17H,4-9,11-12H2,1H3,(H,22,23,24)/t15-,17+/m1/s1.

What are the key properties of 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?

2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 430.60 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31657857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).